VeloxChem

VeloxChem [RLV+20] is a Python-based open source quantum chemistry software for contemporary and future hardware architectures. It features interactive program access through Jupyter notebooks as well as massively parallel calculations in high-performance computing (HPC) environments.

homepage: https://veloxchem.org/docs/intro.html

version	toolchain
1.0-rc4	foss/2023a

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